Vitas-M small molecule compound
N-[({[(3E,8xi,9xi,14xi)-17-hydroxy-20-oxopregn-4-en-3-ylidene]amino}oxy)acetyl]cysteine
Catalog ID
STL527537
SMILES SCC(C(=O)O)NC(=O)CO/N=C/1\CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(O)C(=O)C)C)C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C26H38N2O6S MW 506.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H38N2O6S/c1-15(29)26(33)11-8-20-18-5-4-16-12-17(28-34-13-22(30)27-21(14-35)23(31)32)6-9-24(16,2)19(18)7-10-25(20,26)3/h12,18-21,33,35H,4-11,13-14H2,1-3H3,(H,27,30)(H,31,32)/b28-17+/t18?,19?,20?,21?,24-,25-,26-/m0/s1InChIKey
IJZDOQVNDUAEQV-BPEXURDVSA-NSynonyms
135639282
2((2((~(E))((10~(R)13~(S)17~(R))17acetyl17hydroxy1013dimethyl267891112141516decahydro1~(H)cyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)3sulfanylpropanoicacid
2(2((((8R9S10R13S14S17R)17acetyl17hydroxy1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetamido)3mercaptopropanoicacid
InChI=1SC26H38N2O6Sc115(29)26(33)118201854161217(28341322(30)2721(1435)23(31)32)6924(162)19(18)71025(2026)3h1218213335H4111314H213H3(H2730)(H3132)b2817+t18?19?20?21?242526m0s1
MFCD03660196
N(((((3E8xi9xi14xi)17hydroxy20oxopregn4en3ylidene)amino)oxy)acetyl)cysteine
SCC(C(=O)O)NC(=O)CON=C1CC(C@)2(C(=C1)CC(C@@H)1(C@@H)2CC(C@)2((C@H)1CC(C@)2(O)C(=O)C)C)C
ZINC001772492161
ZINC001772492164
Check stock
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Check stock on Vitas-MAvailable files
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